Geometry & MOs

Info

ID:	123940
PubChem CID:	50866443
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	449.150619
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	6.96
IP(EA), eV:	-8.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(3-chlorophenyl)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4C)C(=CC1(C)C)C

DOS

IR

Vibrations